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Feng, Enguang,Shin, Woo-Jin,Zhu, Xuelian,Li, Jian,Ye, Deju,Wang, Jiang,Zheng, Mingyue,Zuo, Jian-Ping,No, Kyoung Tai,Liu, Xian,Zhu, Weiliang,Tang, Wei,Seong, Baik-Lin,Jiang, Hualiang,Liu, Hong American Chemical Society 2013 Journal of medicinal chemistry Vol.56 No.3
<P>In order to exploit the 430-cavity in the active sites of neuraminidases, 22 zanamivir analogs with C-1 and C-4 modification were synthesized, and their inhibitory activities against both group-1 (H5N1, H1N1) and group-2 neuraminidases (H3N2) were determined. Compound <B>9f</B> exerts the most potency, with IC<SUB>50</SUB> value of 0.013, 0.001, and 0.09 μM against H3N2, H5N1, and H1N1, which is similar to that of zanamivir (H3N2 IC<SUB>50</SUB> = 0.0014 μM, H5N1 IC<SUB>50</SUB> = 0.012 μM, H1N1 IC<SUB>50</SUB> = 0.001 μM). Pharmacokinetic studies of compound <B>9f</B> in rats showed a much longer plasma half-life (<I>t</I><SUB>1/2</SUB>) than that of zanamivir following administration (po dose). Molecular modeling provided information about the binding model between the new inhibitors and neuraminidase, with the elongated groups at the C-1-position being projected toward the 430-loop region. This study may represent a novel starting point for the future development of improved antiflu agents.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jmcmar/2013/jmcmar.2013.56.issue-3/jm3009713/production/images/medium/jm-2012-009713_0009.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/jm3009713'>ACS Electronic Supporting Info</A></P>
Yan Fang,Jianghong Mao,Yixue Zhang,Weiliang Jin,Diwei Tang,Jun Zhang 대한토목학회 2021 KSCE JOURNAL OF CIVIL ENGINEERING Vol.25 No.9
There are a large number of concrete bonding interfaces in assembled concrete structures. Moreover, the problems of deformation and coordination at the interfaces lead to weak bonding under shrinkage and creep. The theoretical methods and analytical solutions for the long-term performance of composite structures in recent literatures are relatively complicated for the review or optimization in the design stage. Hence, a method for calculating the mid-span deflection of and the cross-sectional stress on composite beams under shrinkage and creep was developed based on the average curvature method. The calculation method was then verified by the experiments and the numerical simulations. Further, factors affecting the deflection of and the stress on the assembled concrete composite beams, including the loading age, the reinforcement ratio, the section dimensions, and the surface area in contact with the atmosphere were analyzed by using the developed method. The results revealed that the adjustment of the section dimensions and the loading time is the effective optimization approach. A framework for review or optimization of composite concrete beams based on the sensitivity analysis is proposed and a case study is carried out. The results of this work can helpfully be used to control the risk of additional deflections or cracking during the long-term operation of buildings.
Validation study on numerical simulation of RC response to close-in blast with a fully coupled model
Yong Lu,Shunfeng Gong,Zhenguo Tu,Weiliang Jin 국제구조공학회 2009 Structural Engineering and Mechanics, An Int'l Jou Vol.32 No.2
The characteristic response of a structure to blast load may be divided into two distinctive phases, namely the direct blast response during which the shock wave effect and localized damage take place, and the post-blast phase whereby progressive collapse may occur. A reliable post-blast analysis depends on a sound understanding of the direct blast effect. Because of the complex loading environment and the stress wave effects, the analysis on the direct effect often necessitates a high fidelity numerical model with coupled fluid (air) and solid subdomains. In such a modelling framework, an appropriate representation of the blast load and the high nonlinearity of the material response is a key to a reliable outcome. This paper presents a series of calibration study on these two important modelling considerations in a coupled Eulerian-Lagrangian framework using a hydrocode. The calibration of the simulated blast load is carried out for both free air and internal explosions. The simulation of the extreme dynamic response of concrete components is achieved using an advanced concrete damage model in conjunction with an element erosion scheme. Validation simulations are conducted for two representative scenarios; one involves a concrete slab under internal blast, and the other with a RC column under air blast, with a particular focus on the simulation sensitivity to the mesh size and the erosion criterion.
Validation study on numerical simulation of RC response to close-in blast with a fully coupled model
Gong, Shunfeng,Lu, Yong,Tu, Zhenguo,Jin, Weiliang Techno-Press 2009 Structural Engineering and Mechanics, An Int'l Jou Vol.32 No.2
The characteristic response of a structure to blast load may be divided into two distinctive phases, namely the direct blast response during which the shock wave effect and localized damage take place, and the post-blast phase whereby progressive collapse may occur. A reliable post-blast analysis depends on a sound understanding of the direct blast effect. Because of the complex loading environment and the stress wave effects, the analysis on the direct effect often necessitates a high fidelity numerical model with coupled fluid (air) and solid subdomains. In such a modelling framework, an appropriate representation of the blast load and the high nonlinearity of the material response is a key to a reliable outcome. This paper presents a series of calibration study on these two important modelling considerations in a coupled Eulerian-Lagrangian framework using a hydrocode. The calibration of the simulated blast load is carried out for both free air and internal explosions. The simulation of the extreme dynamic response of concrete components is achieved using an advanced concrete damage model in conjunction with an element erosion scheme. Validation simulations are conducted for two representative scenarios; one involves a concrete slab under internal blast, and the other with a RC column under air blast, with a particular focus on the simulation sensitivity to the mesh size and the erosion criterion.